4-[(4-methylpiperazin-1-yl)methyl]benzoic acid hydrate dihydrochloride

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid hydrate dihydrochloride Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid hydrate dihydrochloride CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]benzoic acid hydrate dihydrochloride IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid hydrate dihydrochloride Traditional Name: 4-[(4-methylpiperazino)methyl]benzoic acid hydrate dihydrochloride Formula: C13H22Cl2N2O3 MolecularWeight: 325.23138

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.O.Cl.Cl

InChI

InChI=1S/C13H18N2O2.2ClH.H2O/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H;1H2